See what you will probably never see in reality, thanks to the PCOD
Two-dimensional V2O5 models (not DFT-optimized) as
predicted by GRINSP
Construction of these V2O5 models (3D,
2D, and 1D) described in 2005 and 2010
in refs. [1 and 8] - VO5 square pyramids or/and trigonal
bipyramids interconnected exclusively by corner-sharing. Data from the
2009 (1319 models) PCOD updates.
Not exhaustive list (more will be added during the next weeks, maybe,
and also, more can be obtained by running again GRINSP)...
References for these GRINSP predictions :
1- Inorganic structure prediction with GRINSP. A. Le Bail, J. Appl. Cryst.
38 (2005) 389-395. http://journals.iucr.org/j/issues/2005/02/00/cg5019/
2- Predicted corner-sharing titanium silicates. A. Le Bail, Z. Kristallogr.,
Suppl. 26 (2007) 203-208. https://www.researchgate.net/publication/228093494_Predicted_corner-sharing_titanium_silicates
3- Powerpoint file : Contribution to the "Gordon Conference Style" Workshop
: Global Optimisation Techniques Applied to the Prediction of Structures,
5-7 July 2006, University College London (.ppt
or zipped)
4- Advances in structure prediction of inorganic compounds. A. Le Bail,
Report of 2nd Algerian Crystallography Congress, Algérie (2005). http://arxiv.org/abs/cond-mat/0606025
5- Hypothetical AlF3 crystal structures, A. Le Bail, F.
Calvayrac, J. Solid State Chem., 179 (2006) 3159-3166.
6- Inorganic structure prediction: too much and not enough, A. Le Bail,
Solid State Phenomena 130 (2007) 1-6.
7- Frontiers between crystal structure prediction and determination by
powder diffractometry, A. Le Bail, Powder Diffraction, S23 (2008) S5-S12.
8- Databases of virtual inorganic crystal structures and their applications,
A. Le Bail, Phys. Chem. Chem. Phys. 12 (2010) 8521-8530. DOI:
10.1039/c003907c
Etc - search by yourself after all...
PCOD5001012 CIF
![](5001012-1.jpg)
PCOD5001177 CIF
![](5001177-1.jpg)
PCOD5001134 CIF
![](5001134-1.jpg)
PCOD5000993 CIF
![](5000993-1.jpg)
PCOD5000322 CIF
![](5000322-1.jpg)
PCOD5000014 CIF
![](5000014-1.jpg)
PCOD5001196 CIF
![](5001196-1.jpg)
PCOD5001034 CIF
![](5001034-1.jpg)
PCOD5001035 CIF
![](5001035-1.jpg)
PCOD5000909 CIF
![](5000909-1.jpg)
PCOD5001041 CIF
![](5001041-1.jpg)
PCOD5000273 CIF
![](5000273-1.jpg)
PCOD5000711 CIF
![](5000711-1.jpg)
PCOD5000258 CIF
![](5000258-1.jpg)
PCOD5000709 CIF
![](5000709-1.jpg)
PCOD5000257 CIF
![](5000257-1.jpg)
PCOD5000719 CIF
![](5000719-1.jpg)
PCOD5000319 CIF
![](5000319-1.jpg)
PCOD5000067 CIF
![](5000067-1.jpg)
PCOD5000195 CIF
![](5000195-1.jpg)
PCOD5000101 CIF
![](5000101-1.jpg)
PCOD5000335 CIF
![](5000335-1.jpg)
PCOD5000094 CIF
![](5000094-1.jpg)
PCOD5000323 CIF
![](5000323-1.jpg)
PCOD5000595 CIF
![](5000595-1.jpg)
PCOD5000408 CIF
![](5000408-1.jpg)
PCOD5000223 CIF
![](5000223-1.jpg)
![](5000223-3.jpg)
PCOD5001213 CIF
![](5001213-1.jpg)